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2824-46-6 | 1,3-BENZOTHIAZOLE-2-SULFONYL CHLORIDE,97%
CAS No: 2824-46-6 Catalog No: AG00BJ05 MDL No:
Product Description
Catalog Number:
AG00BJ05
Chemical Name:
1,3-BENZOTHIAZOLE-2-SULFONYL CHLORIDE,97%
CAS Number:
2824-46-6
Molecular Formula:
C7H4ClNO2S2
Molecular Weight:
233.6952
IUPAC Name:
1,3-benzothiazole-2-sulfonyl chloride
InChI:
InChI=1S/C7H4ClNO2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H
InChI Key:
HSILAFDVJZUQPI-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1nc2c(s1)cccc2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.937g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.684g/mol
Monoisotopic Mass:
232.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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